2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

C11H14BrF2N3O2 — CID 107480082

IUPAC2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1N(CCO)CC(F)F
InChIInChI=1S/C11H14BrF2N3O2/c12-7-2-1-3-8(10(7)11(15)16-19)17(4-5-18)6-9(13)14/h1-3,9,18-19H,4-6H2,(H2,15,16)
InChIKeyACEFRRKZTWHZOK-UHFFFAOYSA-N
MW338.15 g/mol
LogP1.61
Rot. Bonds6

About 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 107480082) has the molecular formula C11H14BrF2N3O2 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID107480082
Molecular FormulaC11H14BrF2N3O2
Molecular Weight338.15 g/mol
Exact Mass337.02
IUPAC Name2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1N(CCO)CC(F)F
InChIInChI=1S/C11H14BrF2N3O2/c12-7-2-1-3-8(10(7)11(15)16-19)17(4-5-18)6-9(13)14/h1-3,9,18-19H,4-6H2,(H2,15,16)
InChIKeyACEFRRKZTWHZOK-UHFFFAOYSA-N
XLogP1.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 107480082) is 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1N(CCO)CC(F)F.
What is the InChIKey of 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ACEFRRKZTWHZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N3O2/c12-7-2-1-3-8(10(7)11(15)16-19)17(4-5-18)6-9(13)14/h1-3,9,18-19H,4-6H2,(H2,15,16).
What are the key properties of 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 338.15 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107480082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).